4-(4-nitrophenoxy)butane-1,2-diol; phenylmethoxycarbonylamino ethanoate

Systemtic Name: 4-(4-nitrophenoxy)butane-1,2-diol; phenylmethoxycarbonylamino ethanoate Openeye Name: benzyloxycarbonylamino acetate; 4-(4-nitrophenoxy)butane-1,2-diol CAS Name: acetic acid phenylmethoxycarbonylamino ester; 4-(4-nitrophenoxy)butane-1,2-diol IUPAC Name: 4-(4-nitrophenoxy)butane-1,2-diol; phenylmethoxycarbonylamino acetate Traditional Name: acetic acid benzyloxycarbonylamino ester; 4-(4-nitrophenoxy)butane-1,2-diol Formula: C20H24N2O9 MolecularWeight: 436.41256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ONC(=O)OCC1=CC=CC=C1.C1=CC(=CC=C1[N+](=O)[O-])OCCC(CO)O

Isomeric SMILES

CC(=O)ONC(=O)OCC1=CC=CC=C1.C1=CC(=CC=C1[N+](=O)[O-])OCCC(CO)O

InChI

InChI=1S/C10H13NO5.C10H11NO4/c12-7-9(13)5-6-16-10-3-1-8(2-4-10)11(14)15;1-8(12)15-11-10(13)14-7-9-5-3-2-4-6-9/h1-4,9,12-13H,5-7H2;2-6H,7H2,1H3,(H,11,13)